CID 62103624

4-(aminomethyl)-n-(propan-2-yl)aniline dihydrochloride

Structural Information

Molecular Formula
C10H16N2
SMILES
CC(C)NC1=CC=C(C=C1)CN
InChI
InChI=1S/C10H16N2/c1-8(2)12-10-5-3-9(7-11)4-6-10/h3-6,8,12H,7,11H2,1-2H3
InChIKey
GJXADIQGZCTFKJ-UHFFFAOYSA-N
Compound name
4-(aminomethyl)-N-propan-2-ylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

164.13135 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.13863 137.3
[M+Na]+ 187.12057 143.3
[M-H]- 163.12407 140.5
[M+NH4]+ 182.16517 157.4
[M+K]+ 203.09451 141.2
[M+H-H2O]+ 147.12861 131.1
[M+HCOO]- 209.12955 162.0
[M+CH3COO]- 223.14520 185.4
[M+Na-2H]- 185.10602 142.5
[M]+ 164.13080 134.8
[M]- 164.13190 134.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe